2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide

C23H29F2N3O3 — CID 86598098

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(CCC(C)(C)O)cn1
InChIInChI=1S/C23H29F2N3O3/c1-4-5-19(27-21(29)12-16-10-17(24)13-18(25)11-16)22(30)28-20-7-6-15(14-26-20)8-9-23(2,3)31/h6-7,10-11,13-14,19,31H,4-5,8-9,12H2,1-3H3,(H,27,29)(H,26,28,30)
InChIKeyNBQOLSDNLUHGBJ-UHFFFAOYSA-N
MW433.50 g/mol
LogP3.53
Rot. Bonds10

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide (PubChem CID 86598098) has the molecular formula C23H29F2N3O3 and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide
PubChem CID86598098
Molecular FormulaC23H29F2N3O3
Molecular Weight433.50 g/mol
Exact Mass433.22
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(CCC(C)(C)O)cn1
InChIInChI=1S/C23H29F2N3O3/c1-4-5-19(27-21(29)12-16-10-17(24)13-18(25)11-16)22(30)28-20-7-6-15(14-26-20)8-9-23(2,3)31/h6-7,10-11,13-14,19,31H,4-5,8-9,12H2,1-3H3,(H,27,29)(H,26,28,30)
InChIKeyNBQOLSDNLUHGBJ-UHFFFAOYSA-N
XLogP3.53
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide (CID 86598098) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(CCC(C)(C)O)cn1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide?
The InChIKey is NBQOLSDNLUHGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O3/c1-4-5-19(27-21(29)12-16-10-17(24)13-18(25)11-16)22(30)28-20-7-6-15(14-26-20)8-9-23(2,3)31/h6-7,10-11,13-14,19,31H,4-5,8-9,12H2,1-3H3,(H,27,29)(H,26,28,30).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide has a molecular weight of 433.50 g/mol, XLogP of 3.53, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(3-hydroxy-3-methylbutyl)-2-pyridinyl]pentanamide is sourced from PubChem (CID 86598098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).